Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM121530'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(3) dopamine receptor (Homo sapiens (Human))	BDBM121530 (US8722683, 77) Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1)N1CCOCC1 |r,wU:4.3,wD:7.7,(5.31,-.25,;6.64,.52,;7.98,1.29,;5.87,1.85,;4.33,1.85,;3.56,.52,;2.02,.52,;1.25,1.85,;-.29,1.85,;-1.06,.52,;-2.6,.52,;-3.37,-.82,;-4.91,-.82,;-5.68,.52,;-4.91,1.85,;-3.37,1.85,;-7.22,.52,;-7.99,1.85,;-9.53,1.85,;-10.3,.52,;-9.53,-.82,;-10,-2.28,;-8.76,-3.19,;-7.51,-2.28,;-7.99,-.82,;2.02,3.19,;3.56,3.19,;7.73,-.57,;7.33,-2.06,;8.44,-3.12,;9.91,-2.72,;10.3,-1.25,;9.22,-.17,)| Show InChI InChI=1S/C23H36N4O5S/c28-33(29,27-14-16-30-17-15-27)24-20-6-4-19(5-7-20)8-9-25-10-12-26(13-11-25)21-2-1-3-22-23(21)32-18-31-22/h1-3,19-20,24H,4-18H2/t19-,20-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann LA-Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl...				US Patent US8722683 (2014) BindingDB Entry DOI: 10.7270/Q2J101VJ
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